4-chloranyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-isobutyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methylpropyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-methylpropyl)-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-isobutyl-N-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-nitro-benzenesulfonamide Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CCN1C(=O)CN(CC(C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1C2=CC=CC=C2CCN1C(=O)CN(CC(C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H26ClN3O5S/c1-15(2)13-24(32(30,31)18-8-9-20(23)21(12-18)26(28)29)14-22(27)25-11-10-17-6-4-5-7-19(17)16(25)3/h4-9,12,15-16H,10-11,13-14H2,1-3H3